USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 146 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 ARG H1 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 ARG H2 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 180:sc= -0.126 (180deg=-0.126) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.455 -0.140 0.107 1.00 0.00 N ATOM 2 CA ARG A 1 2.142 -0.105 -1.172 1.00 0.00 C ATOM 3 C ARG A 1 3.320 -1.082 -1.170 1.00 0.00 C ATOM 4 O ARG A 1 3.850 -1.417 -0.112 1.00 0.00 O ATOM 5 CB ARG A 1 2.657 1.302 -1.483 1.00 0.00 C ATOM 6 CG ARG A 1 1.533 2.192 -2.017 1.00 0.00 C ATOM 7 CD ARG A 1 1.994 2.981 -3.245 1.00 0.00 C ATOM 8 NE ARG A 1 2.135 2.073 -4.405 1.00 0.00 N ATOM 9 CZ ARG A 1 2.794 2.386 -5.528 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.378 3.586 -5.650 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.872 1.499 -6.530 1.00 0.00 N ATOM 0 H3 ARG A 1 0.658 0.528 0.091 1.00 0.00 H new ATOM 0 HA ARG A 1 1.425 -0.396 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.080 1.746 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.460 1.245 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.671 1.578 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.209 2.882 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.275 3.768 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.946 3.470 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 1 1.703 1.151 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.321 4.261 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.880 3.824 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.429 0.585 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.374 1.738 -7.385 1.00 0.00 H new ATOM 25 N VAL A 2 3.695 -1.511 -2.366 1.00 0.00 N ATOM 26 CA VAL A 2 4.800 -2.443 -2.515 1.00 0.00 C ATOM 27 C VAL A 2 5.847 -1.840 -3.452 1.00 0.00 C ATOM 28 O VAL A 2 5.749 -1.982 -4.670 1.00 0.00 O ATOM 29 CB VAL A 2 4.278 -3.799 -2.993 1.00 0.00 C ATOM 30 CG1 VAL A 2 5.433 -4.765 -3.266 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.293 -4.395 -1.985 1.00 0.00 C ATOM 0 H VAL A 2 3.253 -1.230 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 2 5.286 -2.617 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 2 3.744 -3.640 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.035 -5.722 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.081 -4.348 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.007 -4.914 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.938 -5.359 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.792 -4.532 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.447 -3.720 -1.860 1.00 0.00 H new ATOM 41 N ARG A 3 6.825 -1.180 -2.850 1.00 0.00 N ATOM 42 CA ARG A 3 7.889 -0.554 -3.616 1.00 0.00 C ATOM 43 C ARG A 3 8.875 -1.613 -4.116 1.00 0.00 C ATOM 44 O ARG A 3 8.583 -2.806 -4.075 1.00 0.00 O ATOM 45 CB ARG A 3 8.641 0.478 -2.774 1.00 0.00 C ATOM 46 CG ARG A 3 9.628 -0.205 -1.824 1.00 0.00 C ATOM 47 CD ARG A 3 9.796 0.602 -0.536 1.00 0.00 C ATOM 48 NE ARG A 3 11.046 1.394 -0.595 1.00 0.00 N ATOM 49 CZ ARG A 3 11.523 2.120 0.426 1.00 0.00 C ATOM 50 NH1 ARG A 3 10.858 2.161 1.588 1.00 0.00 N ATOM 51 NH2 ARG A 3 12.666 2.807 0.282 1.00 0.00 N ATOM 0 H ARG A 3 6.903 -1.065 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 3 7.432 -0.047 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.177 1.166 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.930 1.072 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.274 -1.208 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.594 -0.317 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.942 1.265 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.821 -0.069 0.323 1.00 0.00 H new ATOM 0 HE ARG A 3 11.577 1.387 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.988 1.640 1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.222 2.714 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.171 2.777 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.030 3.360 1.058 1.00 0.00 H new ATOM 65 N THR A 4 10.022 -1.135 -4.576 1.00 0.00 N ATOM 66 CA THR A 4 11.053 -2.025 -5.082 1.00 0.00 C ATOM 67 C THR A 4 12.441 -1.488 -4.730 1.00 0.00 C ATOM 68 O THR A 4 12.688 -0.286 -4.820 1.00 0.00 O ATOM 69 CB THR A 4 10.831 -2.197 -6.587 1.00 0.00 C ATOM 70 OG1 THR A 4 9.415 -2.165 -6.735 1.00 0.00 O ATOM 71 CG2 THR A 4 11.227 -3.590 -7.081 1.00 0.00 C ATOM 0 H THR A 4 10.260 -0.144 -4.609 1.00 0.00 H new ATOM 0 HA THR A 4 10.992 -3.008 -4.615 1.00 0.00 H new ATOM 0 HB THR A 4 11.405 -1.444 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.183 -2.268 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.050 -3.659 -8.154 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.284 -3.762 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.630 -4.342 -6.565 1.00 0.00 H new ATOM 79 N ARG A 5 13.313 -2.405 -4.337 1.00 0.00 N ATOM 80 CA ARG A 5 14.671 -2.039 -3.970 1.00 0.00 C ATOM 81 C ARG A 5 15.606 -3.239 -4.130 1.00 0.00 C ATOM 82 O ARG A 5 15.160 -4.385 -4.104 1.00 0.00 O ATOM 83 CB ARG A 5 14.736 -1.538 -2.526 1.00 0.00 C ATOM 84 CG ARG A 5 16.119 -0.969 -2.204 1.00 0.00 C ATOM 85 CD ARG A 5 16.033 0.093 -1.106 1.00 0.00 C ATOM 86 NE ARG A 5 16.473 -0.479 0.186 1.00 0.00 N ATOM 87 CZ ARG A 5 16.471 0.193 1.345 1.00 0.00 C ATOM 88 NH1 ARG A 5 16.050 1.465 1.382 1.00 0.00 N ATOM 89 NH2 ARG A 5 16.887 -0.406 2.469 1.00 0.00 N ATOM 0 H ARG A 5 13.106 -3.401 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 5 14.989 -1.236 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.978 -0.771 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.508 -2.356 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.782 -1.773 -1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.555 -0.533 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.657 0.948 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.010 0.459 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 5 16.798 -1.446 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.731 1.922 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.049 1.976 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.206 -1.375 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.885 0.107 3.351 1.00 0.00 H new ATOM 103 N LYS A 6 16.886 -2.935 -4.289 1.00 0.00 N ATOM 104 CA LYS A 6 17.887 -3.974 -4.452 1.00 0.00 C ATOM 105 C LYS A 6 17.432 -4.949 -5.539 1.00 0.00 C ATOM 106 O LYS A 6 17.849 -6.106 -5.556 1.00 0.00 O ATOM 107 CB LYS A 6 18.186 -4.646 -3.110 1.00 0.00 C ATOM 108 CG LYS A 6 19.121 -3.783 -2.261 1.00 0.00 C ATOM 109 CD LYS A 6 18.914 -4.054 -0.770 1.00 0.00 C ATOM 110 CE LYS A 6 20.254 -4.158 -0.040 1.00 0.00 C ATOM 111 NZ LYS A 6 20.515 -5.557 0.368 1.00 0.00 N ATOM 0 H LYS A 6 17.252 -1.983 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 6 18.832 -3.543 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.255 -4.819 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.641 -5.622 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.157 -3.988 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.940 -2.729 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.318 -3.254 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.352 -4.979 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.056 -3.806 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.248 -3.512 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.429 -5.610 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.758 -5.880 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.542 -6.165 -0.475 1.00 0.00 H new ATOM 125 N GLY A 7 16.581 -4.446 -6.423 1.00 0.00 N ATOM 126 CA GLY A 7 16.066 -5.258 -7.512 1.00 0.00 C ATOM 127 C GLY A 7 15.129 -6.348 -6.986 1.00 0.00 C ATOM 128 O GLY A 7 14.959 -7.386 -7.623 1.00 0.00 O ATOM 0 H GLY A 7 16.236 -3.486 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.532 -4.626 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.894 -5.715 -8.053 1.00 0.00 H new ATOM 132 N ARG A 8 14.545 -6.074 -5.828 1.00 0.00 N ATOM 133 CA ARG A 8 13.631 -7.019 -5.210 1.00 0.00 C ATOM 134 C ARG A 8 12.408 -6.287 -4.651 1.00 0.00 C ATOM 135 O ARG A 8 12.500 -5.120 -4.270 1.00 0.00 O ATOM 136 CB ARG A 8 14.315 -7.789 -4.079 1.00 0.00 C ATOM 137 CG ARG A 8 15.312 -6.899 -3.335 1.00 0.00 C ATOM 138 CD ARG A 8 16.137 -7.715 -2.337 1.00 0.00 C ATOM 139 NE ARG A 8 15.277 -8.171 -1.223 1.00 0.00 N ATOM 140 CZ ARG A 8 15.703 -8.939 -0.210 1.00 0.00 C ATOM 141 NH1 ARG A 8 16.980 -9.343 -0.167 1.00 0.00 N ATOM 142 NH2 ARG A 8 14.851 -9.304 0.758 1.00 0.00 N ATOM 0 H ARG A 8 14.687 -5.212 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 8 13.317 -7.726 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.564 -8.162 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.831 -8.658 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.976 -6.414 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.777 -6.108 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.583 -8.574 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.957 -7.110 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 8 14.298 -7.883 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.628 -9.066 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.304 -9.927 0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.879 -8.998 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.175 -9.888 1.529 1.00 0.00 H new ATOM 156 N ARG A 9 11.293 -7.000 -4.622 1.00 0.00 N ATOM 157 CA ARG A 9 10.054 -6.432 -4.117 1.00 0.00 C ATOM 158 C ARG A 9 10.033 -6.480 -2.588 1.00 0.00 C ATOM 159 O ARG A 9 10.455 -7.468 -1.989 1.00 0.00 O ATOM 160 CB ARG A 9 8.840 -7.188 -4.660 1.00 0.00 C ATOM 161 CG ARG A 9 7.567 -6.790 -3.913 1.00 0.00 C ATOM 162 CD ARG A 9 7.400 -7.615 -2.635 1.00 0.00 C ATOM 163 NE ARG A 9 5.996 -8.061 -2.499 1.00 0.00 N ATOM 164 CZ ARG A 9 5.562 -8.895 -1.544 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.419 -9.378 -0.635 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.269 -9.246 -1.498 1.00 0.00 N ATOM 0 H ARG A 9 11.221 -7.966 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 9 10.003 -5.396 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.722 -6.978 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.002 -8.261 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.604 -5.730 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.701 -6.935 -4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.064 -8.479 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.686 -7.019 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 9 5.316 -7.712 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.403 -9.111 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.088 -10.013 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.616 -8.878 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.938 -9.881 -0.771 1.00 0.00 H new ATOM 180 N ILE A 10 9.539 -5.400 -2.000 1.00 0.00 N ATOM 181 CA ILE A 10 9.458 -5.307 -0.553 1.00 0.00 C ATOM 182 C ILE A 10 8.093 -4.737 -0.159 1.00 0.00 C ATOM 183 O ILE A 10 7.371 -4.207 -1.002 1.00 0.00 O ATOM 184 CB ILE A 10 10.640 -4.508 -0.001 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.893 -4.723 -0.853 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.886 -4.840 1.473 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.421 -6.151 -0.702 1.00 0.00 C ATOM 0 H ILE A 10 9.191 -4.582 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 10 9.533 -6.297 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 10 10.391 -3.448 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.663 -4.525 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.665 -4.013 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.731 -4.259 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.997 -4.595 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.105 -5.903 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.311 -6.277 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.673 -6.337 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.656 -6.858 -1.022 1.00 0.00 H new ATOM 199 N ARG A 11 7.782 -4.865 1.123 1.00 0.00 N ATOM 200 CA ARG A 11 6.517 -4.370 1.638 1.00 0.00 C ATOM 201 C ARG A 11 6.757 -3.213 2.611 1.00 0.00 C ATOM 202 O ARG A 11 7.677 -3.263 3.425 1.00 0.00 O ATOM 203 CB ARG A 11 5.743 -5.477 2.356 1.00 0.00 C ATOM 204 CG ARG A 11 4.234 -5.295 2.179 1.00 0.00 C ATOM 205 CD ARG A 11 3.481 -6.577 2.541 1.00 0.00 C ATOM 206 NE ARG A 11 2.501 -6.301 3.617 1.00 0.00 N ATOM 207 CZ ARG A 11 1.331 -5.677 3.424 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.987 -5.259 2.198 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.505 -5.469 4.459 1.00 0.00 N ATOM 0 H ARG A 11 8.384 -5.304 1.820 1.00 0.00 H new ATOM 0 HA ARG A 11 5.928 -4.021 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.044 -6.449 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.992 -5.470 3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.887 -4.475 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.016 -5.020 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.968 -6.968 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.185 -7.343 2.866 1.00 0.00 H new ATOM 0 HE ARG A 11 2.731 -6.605 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.616 -5.416 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.096 -4.784 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.767 -5.786 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.386 -4.994 4.313 1.00 0.00 H new ATOM 223 N ILE A 12 5.913 -2.199 2.493 1.00 0.00 N ATOM 224 CA ILE A 12 6.022 -1.031 3.352 1.00 0.00 C ATOM 225 C ILE A 12 4.725 -0.223 3.274 1.00 0.00 C ATOM 226 O ILE A 12 4.529 0.677 2.456 1.00 0.00 O ATOM 227 CB ILE A 12 7.273 -0.224 3.001 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.767 0.574 4.211 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.025 0.672 1.787 1.00 0.00 C ATOM 230 CD1 ILE A 12 6.593 1.176 4.987 1.00 0.00 C ATOM 0 H ILE A 12 5.151 -2.161 1.816 1.00 0.00 H new ATOM 0 HA ILE A 12 6.147 -1.332 4.392 1.00 0.00 H new ATOM 0 HB ILE A 12 8.065 -0.922 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.347 -0.075 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.434 1.369 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.930 1.235 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.755 0.056 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.213 1.365 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.971 1.738 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.030 1.843 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.941 0.376 5.338 1.00 0.00 H new ATOM 242 N PRO A 13 3.776 -0.567 4.185 1.00 0.00 N ATOM 243 CA PRO A 13 2.522 0.220 4.367 1.00 0.00 C ATOM 244 C PRO A 13 1.479 0.101 3.198 1.00 0.00 C ATOM 245 O PRO A 13 0.922 -0.964 2.926 1.00 0.00 O ATOM 246 CB PRO A 13 2.049 -0.324 5.733 1.00 0.00 C ATOM 247 CG PRO A 13 2.506 -1.785 5.757 1.00 0.00 C ATOM 248 CD PRO A 13 3.861 -1.763 5.051 1.00 0.00 C ATOM 0 HA PRO A 13 2.668 1.300 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.488 0.240 6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.967 -0.247 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.594 -2.158 6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.798 -2.433 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.684 -1.687 5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.026 -2.670 4.469 1.00 0.00 H new ATOM 256 N PRO A 14 1.203 1.233 2.522 1.00 0.00 N ATOM 257 CA PRO A 14 0.104 1.306 1.523 1.00 0.00 C ATOM 258 C PRO A 14 0.210 0.384 0.259 1.00 0.00 C ATOM 259 O PRO A 14 -0.567 0.505 -0.682 1.00 0.00 O ATOM 260 CB PRO A 14 0.088 2.822 1.220 1.00 0.00 C ATOM 261 CG PRO A 14 1.509 3.323 1.510 1.00 0.00 C ATOM 262 CD PRO A 14 1.981 2.472 2.690 1.00 0.00 C ATOM 0 HA PRO A 14 -0.831 0.903 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.189 3.010 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.643 3.337 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.159 3.197 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.513 4.384 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.054 2.285 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.775 2.954 3.646 1.00 0.00 H new